AG009T5S

106918-32-5 | Methyl 4-(2-oxoethyl)benzoate

AG009T5S

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CAS Number	106918-32-5
Catalog Number	AG009T5S(AGN-PC-00O788)
Chemical Name	Methyl 4-(2-oxoethyl)benzoate
IUPAC Name	methyl 4-(2-oxoethyl)benzoate
InChI	InChI=1S/C10H10O3/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5,7H,6H2,1H3
InChI Key	HKTGGDULWDLYKQ-UHFFFAOYSA-N
MDL Number	MFCD11846871
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	O=C(OC)C1(=CC=C(CC=O)C=C1)
Synonyms	METHYL 4-(2-OXOETHYL)BENZOATE, 106918-32-5, 4-(2-Oxo-ethyl)-benzoic acid methyl ester, Methyl 4-formylmethylbenzoate, SCHEMBL223801, 4-carbomethoxyphenylacetaldehyde, DTXSID40551127, HKTGGDULWDLYKQ-UHFFFAOYSA-N, MFCD11846871, ZINC75420940, AKOS022623049, EL-0711, KS-000024Y4, BC253937, DA-15851, OR311264, SC-30671, FT-0724552, Benzoic acid, 4-(2-oxoethyl)-, methyl ester,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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